[4-[(E)-[(6-chloranylpyridazin-3-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(E)-[(6-chloranylpyridazin-3-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-[(6-chloropyridazin-3-yl)hydrazono]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-[(6-chloro-3-pyridazinyl)hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-[(6-chloropyridazin-3-yl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C19H16ClN5O6S MolecularWeight: 477.87824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC3=NN=C(C=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC3=NN=C(C=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN5O6S/c1-12-3-5-14(10-15(12)25(26)27)32(28,29)31-16-6-4-13(9-17(16)30-2)11-21-23-19-8-7-18(20)22-24-19/h3-11H,1-2H3,(H,23,24)/b21-11+